Ethyl 4-bromobenzoate
- CAS NO.：5798-75-4
- Empirical Formula: C9H9BrO2
- Molecular Weight: 229.07
- MDL number: MFCD00016329
- EINECS: 227-347-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is Ethyl 4-bromobenzoate?
Chemical properties
clear colorless to yellow liquid
The Uses of Ethyl 4-bromobenzoate
Ethyl 4-bromobenzoate undergoes reduction with potassium diisobutyl-t-butoxyaluminum hydride (PDBBA) at 0°C to yield aldehydes. Reaction of ethyl 4-bromobenzoate and substituted benzyl chloride with zinc dust and a Pd catalyst is reported.
Synthesis Reference(s)
Synthetic Communications, 22, p. 1851, 1992 DOI: 10.1080/00397919208021316
Synthesis, p. 191, 1983
General Description
Ethyl 4-bromobenzoate is an ester having electron-withdrawing substituent. It undergoes reduction with potassium diisobutyl-t-butoxyaluminum hydride (PDBBA) at 0°C to yield aldehydes. Reaction of ethyl 4-bromobenzoate and substituted benzyl chloride with zinc dust and a Pd catalyst is reported.
Properties of Ethyl 4-bromobenzoate
| Melting point: | 18 °C |
| Boiling point: | 131 °C/14 mmHg (lit.) |
| Density | 1.403 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | clear liquid |
| color | Colorless to Light yellow to Light orange |
| Specific Gravity | 1.403 |
| Water Solubility | Insoluble |
| Merck | 14,1408 |
| BRN | 1867129 |
| CAS DataBase Reference | 5798-75-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 4-bromo-, ethyl ester(5798-75-4) |
| EPA Substance Registry System | Benzoic acid, 4-bromo-, ethyl ester (5798-75-4) |
Safety information for Ethyl 4-bromobenzoate
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H225:Flammable liquids H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370+P378:In case of fire: Use … for extinction. P405:Store locked up. P403+P235:Store in a well-ventilated place. Keep cool. |
Computed Descriptors for Ethyl 4-bromobenzoate
| InChIKey | XZIAFENWXIQIKR-UHFFFAOYSA-N |
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